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BDBM50253529 1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-phenylbut-1-ynyl)thiophen-2-yl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide::CHEMBL522824

SMILES: Cc1c(nn(c1-c1ccc(s1)C#CCCc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

InChI Key: InChIKey=LLWJMTCYPFQWGT-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50253529   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50253529
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-phenylbut-...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CCCc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C30H28Cl2N4OS/c1-21-28(30(37)34-35-18-8-3-9-19-35)33-36(26-16-14-23(31)20-25(26)32)29(21)27-17-15-24(38-27)13-7-6-12-22-10-4-2-5-11-22/h2,4-5,10-11,14-17,20H,3,6,8-9,12,18-19H2,1H3,(H,34,37)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253529
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-phenylbut-...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CCCc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C30H28Cl2N4OS/c1-21-28(30(37)34-35-18-8-3-9-19-35)33-36(26-16-14-23(31)20-25(26)32)29(21)27-17-15-24(38-27)13-7-6-12-22-10-4-2-5-11-22/h2,4-5,10-11,14-17,20H,3,6,8-9,12,18-19H2,1H3,(H,34,37)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20.4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of Eu-GTP binding


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253529
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-phenylbut-...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CCCc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C30H28Cl2N4OS/c1-21-28(30(37)34-35-18-8-3-9-19-35)33-36(26-16-14-23(31)20-25(26)32)29(21)27-17-15-24(38-27)13-7-6-12-22-10-4-2-5-11-22/h2,4-5,10-11,14-17,20H,3,6,8-9,12,18-19H2,1H3,(H,34,37)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair